SCHEMBL14183200

SCHEMBL14183200

CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.90
CYP3A5 P20815 3/20 0.90
CYP3A7 P24462 3/20 0.90
CYP3A43 Q9HB55 3/20 0.90
KCNH2 Q12809 2/20 0.90
ABCC4 O15439 1/20 0.90
ABCB11 O95342 1/20 0.90
PTGS1 P23219 1/20 0.90
SLCO1B3 Q9NPD5 1/20 0.90
SLCO1B1 Q9Y6L6 1/20 0.90
GNRHR P30968 2/20 0.51
HDAC1 Q13547 10/20 0.50
HDAC8 Q9BY41 10/20 0.50
HDAC6 Q9UBN7 10/20 0.50
HDAC3 O15379 5/20 0.48
HDAC4 P56524 5/20 0.48
HDAC7 Q8WUI4 5/20 0.48
HDAC2 Q92769 5/20 0.48
HDAC10 Q969S8 5/20 0.48
HDAC11 Q96DB2 5/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Telithromycin SCHEMBL1878591 0.95 CYP3A4 (1.00) CYP3A4CYP3A5CYP3A7CYP3A43KCNH2
Telithromycin SCHEMBL18035669 0.95 CYP3A4 (1.00) CYP3A4CYP3A5CYP3A7CYP3A43KCNH2
Telithromycin SCHEMBL784845 0.95 CYP3A4 (1.00) CYP3A4CYP3A5CYP3A7CYP3A43KCNH2
Telithromycin SCHEMBL12858721 0.95 CYP3A4 (1.00) CYP3A4CYP3A5CYP3A7CYP3A43KCNH2
Telithromycin SCHEMBL14268636 0.95 CYP3A4 (1.00) CYP3A4CYP3A5CYP3A7CYP3A43KCNH2
Telithromycin SCHEMBL10819900 0.95 CYP3A4 (1.00) CYP3A4CYP3A5CYP3A7CYP3A43KCNH2
Telithromycin SCHEMBL14521662 0.95 CYP3A4 (1.00) CYP3A4CYP3A5CYP3A7CYP3A43KCNH2
Telithromycin SCHEMBL15387603 0.95 CYP3A4 (1.00) CYP3A4CYP3A5CYP3A7CYP3A43KCNH2
Telithromycin SCHEMBL5100 0.95 CYP3A4 (1.00) CYP3A4CYP3A5CYP3A7CYP3A43KCNH2
Telithromycin SCHEMBL19518975 0.95 CYP3A4 (1.00) CYP3A4CYP3A5CYP3A7CYP3A43KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same BioVersys AG (CH) 2008-05-22 US disclosed
US-7335753-B2 Bifunctional heterocyclic compounds and methods of making and using same RIB-X PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20070270357-A1 Bifunctional Macrolide Heterocyclic Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. 2007-11-22 US disclosed
US-20070149463-A1 Bifunctional macrolide heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. 2007-06-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same PCNA, DCX, ATIC CYP3A4 1855/4885CYP3A5 1195/4885CYP3A7 1664/4885
US-20070270357-A1 Bifunctional Macrolide Heterocyclic Compounds and Methods of Making and Using the Same PAICS, MAP2K4, GIPR CYP3A4 1257/4885CYP3A5 659/4885CYP3A7 854/4885
US-20070149463-A1 Bifunctional macrolide heterocyclic compounds and methods of making and using the same PAICS, MAP2K4, GIPR CYP3A4 1257/4885CYP3A5 659/4885CYP3A7 854/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.